5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H15N3O5 — CID 107076483

IUPAC5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O5/c17-9-3-4-11(16(20)21)10(7-9)13(19)14-8-12(18)15-5-1-2-6-15/h3-4,7,17H,1-2,5-6,8H2,(H,14,19)
InChIKeyVUIGMHUXBSKLHC-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.65
Rot. Bonds4

About 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 107076483) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID107076483
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O5/c17-9-3-4-11(16(20)21)10(7-9)13(19)14-8-12(18)15-5-1-2-6-15/h3-4,7,17H,1-2,5-6,8H2,(H,14,19)
InChIKeyVUIGMHUXBSKLHC-UHFFFAOYSA-N
XLogP0.65
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
CID 107076548
3-methyl-4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 78782618
5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 102741535
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
5-hydroxy-2-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 107076426
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 107076483) is 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VUIGMHUXBSKLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-9-3-4-11(16(20)21)10(7-9)13(19)14-8-12(18)15-5-1-2-6-15/h3-4,7,17H,1-2,5-6,8H2,(H,14,19).
What are the key properties of 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 293.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 107076483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).